SCHEMBL11240415

SCHEMBL11240415

CC(=O)Nc1nn(CCOC(C)=O)c2nc(C)c(-c3ccncc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ATM Q13315 2/20 0.46
PABPC1 P11940 1/20 0.42
ALDH1A1 P00352 6/20 0.41
CASP1 P29466 2/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
KDM4E B2RXH2 7/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 4/20 0.39
CASP7 P55210 1/20 0.39
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11235524 0.82 KDM4E (0.56) KMT2AMEN1ATMALDH1A1CASP1
SCHEMBL11222288 0.82 MEN1 (0.40) KMT2AMEN1ATMPABPC1ALDH1A1
SCHEMBL11236486 0.79 ATM (0.44) KMT2AMEN1ATMPABPC1ALDH1A1
SCHEMBL11229128 0.71 KDM4E (0.50) KMT2AMEN1ATMPABPC1ALDH1A1
SCHEMBL11233210 0.71 MEN1 (0.43) KMT2AMEN1ATMPABPC1ALDH1A1
SCHEMBL11240784 0.69 PDE3B (0.46) ALDH1A1PDE3BPDE3AKDM4EGAA
SCHEMBL7291097 0.68 SMN1; SMN2 (0.48) KMT2AALDH1A1PDE3BPDE3AKDM4E
SCHEMBL11233335 0.68 ATM (0.39) KMT2AMEN1ATMPABPC1ALDH1A1
SCHEMBL18604300 0.68 PDE3B (0.43) ALDH1A1PDE3BPDE3AKDM4EGAA
SCHEMBL11237388 0.67 PDE3B (0.44) ALDH1A1PDE3BPDE3AKDM4EHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4361568-A 5-(Pyridinyl)-1H-pyrazolo[3,4-b]pyridin-3-amines and their cardiotonic use STERLING DRUG INC. (US) 1982-11-30 US disclosed